N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide

C16H17NO7 — CID 71030064

IUPACN-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)C2C(=O)OC(C)(C)OC2=O)c1
InChIInChI=1S/C16H17NO7/c1-9(18)17-10-5-4-6-11(7-10)22-8-12(19)13-14(20)23-16(2,3)24-15(13)21/h4-7,13H,8H2,1-3H3,(H,17,18)
InChIKeyHFMQRGUWJVNKHM-UHFFFAOYSA-N
MW335.31 g/mol
LogP1.05
Rot. Bonds5

About N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide

N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide (PubChem CID 71030064) has the molecular formula C16H17NO7 and a molecular weight of 335.31 g/mol. Its IUPAC name is N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide
PubChem CID71030064
Molecular FormulaC16H17NO7
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC NameN-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)C2C(=O)OC(C)(C)OC2=O)c1
InChIInChI=1S/C16H17NO7/c1-9(18)17-10-5-4-6-11(7-10)22-8-12(19)13-14(20)23-16(2,3)24-15(13)21/h4-7,13H,8H2,1-3H3,(H,17,18)
InChIKeyHFMQRGUWJVNKHM-UHFFFAOYSA-N
XLogP1.05
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide (CID 71030064) is N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCC(=O)C2C(=O)OC(C)(C)OC2=O)c1.
What is the InChIKey of N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is HFMQRGUWJVNKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO7/c1-9(18)17-10-5-4-6-11(7-10)22-8-12(19)13-14(20)23-16(2,3)24-15(13)21/h4-7,13H,8H2,1-3H3,(H,17,18).
What are the key properties of N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide?
N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 335.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 71030064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).